N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C18H26ClNO — CID 104816003

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1cccc(Cl)c1CNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C18H26ClNO/c1-17(2)12-8-9-18(3,10-12)16(17)20-11-13-14(19)6-5-7-15(13)21-4/h5-7,12,16,20H,8-11H2,1-4H3
InChIKeyKQDIWOBRUIBZQT-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.65
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 104816003) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID104816003
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1cccc(Cl)c1CNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C18H26ClNO/c1-17(2)12-8-9-18(3,10-12)16(17)20-11-13-14(19)6-5-7-15(13)21-4/h5-7,12,16,20H,8-11H2,1-4H3
InChIKeyKQDIWOBRUIBZQT-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
(1R,4S)-N-(3-chloro-2-fluorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400420
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
(1R,4S)-N-(2,4-dimethoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400254
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
CID 103897258

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 104816003) is N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is COc1cccc(Cl)c1CNC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is KQDIWOBRUIBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-17(2)12-8-9-18(3,10-12)16(17)20-11-13-14(19)6-5-7-15(13)21-4/h5-7,12,16,20H,8-11H2,1-4H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 307.86 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 104816003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).